SCHEMBL21217865

SCHEMBL21217865

CC(C)C(=O)NCCCOc1ccc(-c2nnc(Nc3ccc4[nH]ncc4c3)[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ROCK2 O75116 10/20 0.43
▸ ROCK1 Q13464 4/20 0.42
▸ IKBKE Q14164 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ TBK1 Q9UHD2 1/20 0.41
▸ TNIK Q9UKE5 1/20 0.39
▸ CACNA2D1 P54289 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22966756 0.97 MEN1 (0.44) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL21217751 0.88 ROCK2 (0.46) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL21217893 0.88 ROCK1 (0.46) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL21217755 0.88 MEN1 (0.44) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL21217815 0.87 ROCK2 (0.53) MEN1KMT2ANPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL21198685 0.87 ROCK1 (0.46) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL21198538 0.86 ROCK2 (0.56) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL24610341 0.85 TNIK (0.45) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL22966736 0.84 ROCK1 (0.51) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL21217532 0.83 TNIK (0.44) MEN1KMT2ANPC1RAB9AL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2024-07-04 — — US disclosed
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2023-01-26 — — US disclosed
EP-4026834-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Plc (GB) 2022-07-13 — — EP disclosed
EP-3743420-B1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2021-12-15 — — EP disclosed
US-20210038606-A1 Modulators of Rho-associated Protein Kinase REDX PHARMA LIMITED (GB) 2021-02-11 — — US disclosed
WO-2019145729-A9 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2020-07-30 — — WO disclosed
WO-2019145729-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2019-08-01 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA MEN1 2942/4885KMT2A 2289/4885NPC1 1504/4885
US-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA MEN1 2886/4885KMT2A 2192/4885NPC1 1742/4885
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA MEN1 2942/4885KMT2A 2289/4885NPC1 1504/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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